Sodium DL-Mandelate - ≥99%(T) , CAS No.114-21-6

CAS: 114-21-6 Cat. No.: S161413 Peso molecular: 174.13 Número EC: 204-041-7
Disponible para pedir
GRADE & PURITY ≥99%(T)
Synonyms
MFCD00051122 | mandelic acid sodium salt | Q27269461 | MANDELIC ACID, SODIUM SALT | 2-Hydroxy-2-phenylacetic acid sodium salt | EINECS 251-860-0 | sodium 2-hydroxy-2-phenylacetate | (2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetr
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5g
S161413-5g
1
35,90US$
25g
S161413-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
56,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥99%(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
MFCD00051122 | mandelic acid sodium salt | Q27269461 | MANDELIC ACID, SODIUM SALT | 2-Hydroxy-2-phenylacetic acid sodium salt | EINECS 251-860-0 | sodium 2-hydroxy-2-phenylacetate | (2S, 3R, 4R, 5R)-4-{[(2R, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)tetr
Especificaciones y pureza
≥99%(T)
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥99%(T)
Nombres e identificadores
Sonrisas canónicasC1=CC=C(C=C1)C(C(=O)[O-])O.[Na+]
IUPAC Namesodium;2-hydroxy-2-phenylacetate
InChIKeyFWDLHTBMGQEUDU-UHFFFAOYSA-M
INCHI1S/C8H8O3.Na/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7,9H,(H,10,11);/q;+1/p-1
Isómeros SMILES C1=CC=C(C=C1)C(C(=O)[O-])O.[Na+]
CAS alternativo 34166-39-7
Peso molecular 174.13
Reaxy-Rn 4165343

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzene and substituted derivatives
Alternative Parents Secondary alcohols  Carboxylic acid salts  Monocarboxylic acids and derivatives  Carboxylic acids  Organic sodium salts  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Aromatic alcohols  Organic cations  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Monocyclic benzene moiety - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Aromatic alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Alcohol - Organic salt - Organic sodium salt - Carbonyl group - Organic cation - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeFechaArticulo
E2526140Certificate of AnalysisJun 13, 2025 S161413
H2121197Certificate of AnalysisJun 09, 2025 S161413
H2121198Certificate of AnalysisJun 09, 2025 S161413
Propiedades químicas y físicas
Peso molecular174.130 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass174.029 Da
Monoisotopic Mass174.029 Da
Topological Polar Surface Area60.400 Ų
Heavy Atom Count12
Formal Charge0
Complexity143.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Calculadoras de soluciones
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